EMCSS: A new method for maximal common substructure search / J. Chem. Inf. Comput. Sci.
- Authors
- Publication Date
- Sep 01, 1997
- Source
- Institutional Repository of Institute of Process Engineering, CAS (IPE-IR）
- Keywords
- License
- Unknown
- External links
Abstract
This paper describes a new method-EMCSS for Maximal Common Substructure (MCS) search, which uses a substructure searching algorithm: Xu's GMA algorithm converts the MCS search space into a much smaller space, the connection table space of query graph (Qc), and adopts a evolutionary strategy to search the optimum solution. The principle of the EMCSS method and its implementation are described in detail. Some highly complex examples, even a hyperstructure pair, are tested. The investigation demonstrates that the EMCSS method is robust and efficient. / This paper describes a new method-EMCSS for Maximal Common Substructure (MCS) search, which uses a substructure searching algorithm: Xu's GMA algorithm converts the MCS search space into a much smaller space, the connection table space of query graph (Qc), and adopts a evolutionary strategy to search the optimum solution. The principle of the EMCSS method and its implementation are described in detail. Some highly complex examples, even a hyperstructure pair, are tested. The investigation demonstrates that the EMCSS method is robust and efficient.
